2,6-dimethyl-1-propyl-1-[4-(trifluoromethyl)phenyl]-4H-pyridin-1-ium-3,5-dicarboxylate

Systemtic Name: 2,6-dimethyl-1-propyl-1-[4-(trifluoromethyl)phenyl]-4H-pyridin-1-ium-3,5-dicarboxylate Openeye Name: 2,6-dimethyl-1-propyl-1-[4-(trifluoromethyl)phenyl]-4H-pyridin-1-ium-3,5-dicarboxylate CAS Name: 2,6-dimethyl-1-propyl-1-[4-(trifluoromethyl)phenyl]-4H-pyridin-1-ium-3,5-dicarboxylate IUPAC Name: 2,6-dimethyl-1-propyl-1-[4-(trifluoromethyl)phenyl]-4H-pyridin-1-ium-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-1-propyl-1-[4-(trifluoromethyl)phenyl]-4H-pyridin-1-ium-3,5-dicarboxylate Formula: C19H19F3NO4- MolecularWeight: 382.35367

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C(=C(CC(=C1C)C(=O)[O-])C(=O)[O-])C)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCC[N+]1(C(=C(CC(=C1C)C(=O)[O-])C(=O)[O-])C)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C19H20F3NO4/c1-4-9-23(14-7-5-13(6-8-14)19(20,21)22)11(2)15(17(24)25)10-16(12(23)3)18(26)27/h5-8H,4,9-10H2,1-3H3,(H-,24,25,26,27)/p-1